N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide

C16H17FN2O3S — CID 35933943

IUPACN-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)Nc2cc(C)ccc2F)cc1
InChIInChI=1S/C16H17FN2O3S/c1-11-3-8-15(17)16(9-11)19-23(21,22)14-6-4-13(5-7-14)10-18-12(2)20/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyBRQPFQDOBYSVET-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.57
Rot. Bonds5

About N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide

N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide (PubChem CID 35933943) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
PubChem CID35933943
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)Nc2cc(C)ccc2F)cc1
InChIInChI=1S/C16H17FN2O3S/c1-11-3-8-15(17)16(9-11)19-23(21,22)14-6-4-13(5-7-14)10-18-12(2)20/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyBRQPFQDOBYSVET-UHFFFAOYSA-N
XLogP2.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide (CID 35933943) is N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)Nc2cc(C)ccc2F)cc1.
What is the InChIKey of N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is BRQPFQDOBYSVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11-3-8-15(17)16(9-11)19-23(21,22)14-6-4-13(5-7-14)10-18-12(2)20/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide?
N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluoro-5-methylphenyl)sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 35933943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).